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1,3-二氢-2-苯并咪唑-2-亚胺基3-羧基-4-羟基苯磺酸盐的合成、晶体结构及 Hirshfeld 表面分析

Synthesis, crystal structure, and Hirshfeld surface analysis of 1,3-di-hydro-2-benzimidazol-2-iminium 3-carb-oxy-4-hy-droxy-benzene-sulfonate.

作者信息

Mukhammadiev Salmon, Rajabov Sarvar, Tojiboev Akmaljon, Ashurov Jamshid, Murodov Sardor, Daminova Shahlo

机构信息

Uzbekistan Japan Innovation Center of Youth, University str. 2B, Tashkent, 100095, Uzbekistan.

National University of Uzbekistan named after Mirzo Ulugbek University str 4 Tashkent 100174 Uzbekistan.

出版信息

Acta Crystallogr E Crystallogr Commun. 2024 Sep 6;80(Pt 10):999-1002. doi: 10.1107/S2056989024008557. eCollection 2024 Sep 1.

DOI:10.1107/S2056989024008557
PMID:39372173
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11451492/
Abstract

The asymmetric unit of the title salt, CHN ·CHOS, comprises two 1,3-di-hydro-2-benzimidazol-2-iminium cations and two 2-hy-droxy-5-sulfobenzoate anions (' = 2). In the crystal, the mol-ecules inter-act through N-H⋯O, O-H⋯O hydrogen bonds and C-O⋯π contacts. The hydrogen-bonding inter-actions lead to the formation of layers parallel to (01). Hirshfeld surface analysis revealed that H⋯H contacts contribute to most of the crystal packing with 38.9%, followed by H⋯O contacts with 36.2%.

摘要

标题盐CHN·CHOS的不对称单元包含两个1,3-二氢-2-苯并咪唑-2-亚胺阳离子和两个2-羟基-5-磺基苯甲酸根阴离子(' = 2)。在晶体中,分子通过N-H⋯O、O-H⋯O氢键和C-O⋯π接触相互作用。氢键相互作用导致形成平行于(01)的层。 Hirshfeld表面分析表明,H⋯H接触对晶体堆积的贡献最大,为38.9%,其次是H⋯O接触,为36.2%。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9bda/11451492/af761fe81f57/e-80-00999-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9bda/11451492/3c02d6c8fb86/e-80-00999-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9bda/11451492/9012d36f62b9/e-80-00999-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9bda/11451492/21d8e3080572/e-80-00999-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9bda/11451492/0394989d7ba0/e-80-00999-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9bda/11451492/af761fe81f57/e-80-00999-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9bda/11451492/3c02d6c8fb86/e-80-00999-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9bda/11451492/9012d36f62b9/e-80-00999-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9bda/11451492/21d8e3080572/e-80-00999-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9bda/11451492/0394989d7ba0/e-80-00999-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9bda/11451492/af761fe81f57/e-80-00999-fig5.jpg

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